Lot numbers can be found on the outside label of a product:
(E)-3-(4-Cyanophenyl)acrylic acid
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CAS No. 16642-94-7
- Cat. No. CS-0100042
- Purity≥97%
- MDL No.MFCD00016845
*For research and further manufacturing use only, not for direct human use.
Structure of 16642-94-7
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General Information
- CAS No. 16642-94-7
- Cat. No. CS-0100042
- Purity ≥97%
- MDL No. MFCD00016845
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₇NO₂
- Molecular Weight None
- Synonym(s) 4-Cyanocinnamic acid
- SMILES O=C(O)/C=C/C1=CC=C(C#N)C=C1
Description
(E)-3-(4-Cyanophenyl)acrylic acid features a conjugated system bridging an electron-deficient nitrile group and a carboxylic acid moiety, enabling efficient integration into π-stacked architectures. This rigid, planar structure enhances solubility in polar aprotic solvents and supports robust performance in coupling reactions under standard conditions.
Application
(E)-3-(4-Cyanophenyl)acrylic acid serves as a versatile building block for conjugated systems and heterocyclic synthesis, enabling efficient access to styryl derivatives and functionalized aromatic scaffolds. Its stability under standard reaction conditions and tolerance to common functional groups facilitate straightforward incorporation into pharmaceutical intermediates and advanced materials.
Synthesis
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Route1
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141-82-2 -
In-stock
105-07-7 - ~93%
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In-stock
16642-94-7
References
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Almirall, S.A. Patent: EP2210890 A1, 2010 ; Location in patent: Page/Page column 34 ; EP 2210890 A1
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Route2
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In-stock
3058-39-7 -
79-10-7
- ~80%
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In-stock
16642-94-7
References
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Razzaq, Tahseen; Kremsner, Jennifer M.; Kappe, C. Oliver Journal of Organic Chemistry, 2008 , vol. 73, # 16 p. 6321 - 6329
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Route3
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110-89-4
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In-stock
105-07-7
- ~%
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In-stock
16642-94-7
References
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US3931168 A1, ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302
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Precautionary Statements : P264-P270-P301+P310-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 61.09
- LogP 1.65608
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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